(4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone

C19H22N4OS — CID 134796494

IUPAC(4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone
SMILESCCN1CCN(C(=O)c2cn3cc(-c4ccc(C)cc4)sc3n2)CC1
InChIInChI=1S/C19H22N4OS/c1-3-21-8-10-22(11-9-21)18(24)16-12-23-13-17(25-19(23)20-16)15-6-4-14(2)5-7-15/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyLRHQHEWBGNAHDA-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.15
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone

(4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone (PubChem CID 134796494) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone
PubChem CID134796494
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name(4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone
SMILESCCN1CCN(C(=O)c2cn3cc(-c4ccc(C)cc4)sc3n2)CC1
InChIInChI=1S/C19H22N4OS/c1-3-21-8-10-22(11-9-21)18(24)16-12-23-13-17(25-19(23)20-16)15-6-4-14(2)5-7-15/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyLRHQHEWBGNAHDA-UHFFFAOYSA-N
XLogP3.15
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone (CID 134796494) is (4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone is CCN1CCN(C(=O)c2cn3cc(-c4ccc(C)cc4)sc3n2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The InChIKey is LRHQHEWBGNAHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-3-21-8-10-22(11-9-21)18(24)16-12-23-13-17(25-19(23)20-16)15-6-4-14(2)5-7-15/h4-7,12-13H,3,8-11H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
(4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone has a molecular weight of 354.48 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone is sourced from PubChem (CID 134796494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).